UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41587461
41587461
41587471
41587471
41587473
41587473
41588589
41588589
41588634
41588634

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Popular Name: (7Z)-7-(2-furylmethylene)-9-methyl-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-7-(2-furylmethylene)-9-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.33 9.75 -11.42 0 5 0 56 387.435 3 ↓
Lo Low (pH 4.5-6) 4.33 12.61 -51.62 1 5 1 57 388.443 3 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin- (7Z)-3-[(2-chlorophenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.51 9.68 -12.27 0 5 0 56 407.853 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin- (7Z)-3-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.04 9.14 -12.78 0 5 0 56 391.398 3 ↓
Lo Low (pH 4.5-6) 4.04 11.99 -58.21 1 5 1 57 392.406 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin- (7Z)-3-[(4-chlorophenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.56 9.59 -12.14 0 5 0 56 407.853 3 ↓
Lo Low (pH 4.5-6) 4.56 12.44 -57.12 1 5 1 57 408.861 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzox (7Z)-3-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.53 8.26 -15.61 0 7 0 74 433.46 5 ↓
Lo Low (pH 4.5-6) 3.53 11.13 -59.2 1 7 1 75 434.468 5 ↓

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-3-[(2,4-dichlorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.16 10.19 -12.71 0 5 0 56 442.298 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxa (7Z)-3-[(3,4-dichlorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.16 10.04 -12.9 0 5 0 56 442.298 3 ↓
Lo Low (pH 4.5-6) 5.16 12.9 -60.42 1 5 1 57 443.306 3 ↓

Analogs

41587451
41587451

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Popular Name: (7Z)-7-(2-furylmethylene)-9-methyl-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-on (7Z)-7-(2-furylmethylene)-9-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.44 10.13 -10.39 0 5 0 56 387.435 3 ↓

Analogs

41587450
41587450

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Popular Name: (7Z)-7-(2-furylmethylene)-9-methyl-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-on (7Z)-7-(2-furylmethylene)-9-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.44 9.97 -10.8 0 5 0 56 387.435 3 ↓

Analogs

41587471
41587471
41587473
41587473
41587436
41587436

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Popular Name: (7Z)-3-benzyl-7-(2-furylmethylene)-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-benzyl-7-(2-furylmethylen…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.88 9.07 -11.36 0 5 0 56 373.408 3 ↓
Lo Low (pH 4.5-6) 3.88 11.92 -51.59 1 5 1 57 374.416 3 ↓

Analogs

41587473
41587473
41587436
41587436
41587461
41587461

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Popular Name: (7Z)-7-(2-furylmethylene)-3-[(4-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-(2-furylmethylene)-3-[(4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 8.37 -13.21 0 6 0 65 403.434 4 ↓
Lo Low (pH 4.5-6) 3.94 11.22 -55.18 1 6 1 66 404.442 4 ↓

Analogs

41656540
41656540
41587436
41587436
41587461
41587461
41587471
41587471
13691029
13691029

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Popular Name: (7Z)-7-(2-furylmethylene)-3-[(2-methoxyphenyl)methyl]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin (7Z)-7-(2-furylmethylene)-3-[(2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.89 8.5 -12.49 0 6 0 65 403.434 4 ↓
Lo Low (pH 4.5-6) 3.89 11.39 -47.17 1 6 1 66 404.442 4 ↓

Analogs

41587436
41587436

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Popular Name: (7Z)-9-methyl-7-[(5-methyl-2-furyl)methylene]-3-(p-tolylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazi (7Z)-9-methyl-7-[(5-methyl-2-fur…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.55 10.57 -11.63 0 5 0 56 401.462 3 ↓
Lo Low (pH 4.5-6) 4.55 13.43 -51.74 1 5 1 57 402.47 3 ↓

Analogs

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Popular Name: (7Z)-3-[(2-chlorophenyl)methyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3] (7Z)-3-[(2-chlorophenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.73 10.53 -12.58 0 5 0 56 421.88 3 ↓
Lo Low (pH 4.5-6) 4.73 13.26 -48.45 1 5 1 57 422.888 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-fluorophenyl)methyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3] (7Z)-3-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.26 9.95 -13.01 0 5 0 56 405.425 3 ↓
Lo Low (pH 4.5-6) 4.26 12.82 -58.37 1 5 1 57 406.433 3 ↓

Analogs

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Popular Name: (7Z)-3-[(4-chlorophenyl)methyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3] (7Z)-3-[(4-chlorophenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.78 10.41 -12.38 0 5 0 56 421.88 3 ↓
Lo Low (pH 4.5-6) 4.78 13.27 -57.32 1 5 1 57 422.888 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dimethoxyphenyl)methyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g] (7Z)-3-[(3,4-dimethoxyphenyl)met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 9.09 -15.76 0 7 0 74 447.487 5 ↓
Lo Low (pH 4.5-6) 3.75 11.96 -59.41 1 7 1 75 448.495 5 ↓

Analogs

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Popular Name: (7Z)-3-[(2,4-dichlorophenyl)methyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][ (7Z)-3-[(2,4-dichlorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.39 11.04 -12.97 0 5 0 56 456.325 3 ↓
Lo Low (pH 4.5-6) 5.39 13.77 -53.37 1 5 1 57 457.333 3 ↓

Analogs

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Popular Name: (7Z)-3-[(3,4-dichlorophenyl)methyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][ (7Z)-3-[(3,4-dichlorophenyl)meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.39 10.86 -13.03 0 5 0 56 456.325 3 ↓
Lo Low (pH 4.5-6) 5.39 13.73 -60.63 1 5 1 57 457.333 3 ↓

Analogs

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Popular Name: (7Z)-9-methyl-7-[(5-methyl-2-furyl)methylene]-3-[(1S)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]benz (7Z)-9-methyl-7-[(5-methyl-2-fur…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.66 10.95 -10.6 0 5 0 56 401.462 3 ↓

Analogs

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Popular Name: (7Z)-9-methyl-7-[(5-methyl-2-furyl)methylene]-3-[(1R)-1-phenylethyl]-2,4-dihydrofuro[3,2-g][1,3]benz (7Z)-9-methyl-7-[(5-methyl-2-fur…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.66 10.74 -10.98 0 5 0 56 401.462 3 ↓

Analogs

41587436
41587436

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Popular Name: (7Z)-3-benzyl-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (7Z)-3-benzyl-9-methyl-7-[(5-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.10 9.89 -11.58 0 5 0 56 387.435 3 ↓
Lo Low (pH 4.5-6) 4.10 12.75 -51.78 1 5 1 57 388.443 3 ↓

Analogs

41587436
41587436

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Popular Name: (7Z)-3-[(4-methoxyphenyl)methyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3 (7Z)-3-[(4-methoxyphenyl)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 9.19 -13.46 0 6 0 65 417.461 4 ↓
Lo Low (pH 4.5-6) 4.16 12.05 -55.33 1 6 1 66 418.469 4 ↓

Analogs

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Popular Name: (7Z)-3-[(2-methoxyphenyl)methyl]-9-methyl-7-[(5-methyl-2-furyl)methylene]-2,4-dihydrofuro[3,2-g][1,3 (7Z)-3-[(2-methoxyphenyl)methyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.11 9.36 -12.78 0 6 0 65 417.461 4 ↓
Lo Low (pH 4.5-6) 4.11 12.21 -47.34 1 6 1 66 418.469 4 ↓

Parameters Provided:

ring.id = 550705
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 550705 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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